KEGG   COMPOUND: C20806
Entry
C20806                      Compound                               
Name
omega-Hydroxyphylloquinone
Formula
C31H46O3
Exact mass
466.3447
Mol weight
466.69
Structure
Reaction
R10728
Enzyme
1.14.14.78
Other DBs
PubChem: 254741273
LinkDB
KCF data

ATOM        34
            1   C8y C     8.9382  -15.4494
            2   C8y C     8.9382  -16.8475
            3   C5x C    10.1965  -14.7503
            4   C8x C     7.7499  -14.7503
            5   C5x C    10.1266  -17.6164
            6   C8x C     7.7499  -17.5465
            7   C2y C    11.3849  -15.4494
            8   O5x O    10.1965  -13.3522
            9   C8x C     6.4916  -15.4494
            10  C2y C    11.3849  -16.9174
            11  O5x O    10.1266  -19.0145
            12  C8x C     6.4916  -16.8475
            13  C1b C    12.5733  -14.7503
            14  C1a C    12.5733  -17.6164
            15  C2b C    13.8316  -15.4494
            16  C2c C    15.0199  -14.7503
            17  C1b C    16.2083  -15.4494
            18  C1a C    15.0199  -13.4222
            19  C1b C    17.3967  -14.7503
            20  C1b C    18.6550  -15.4494
            21  C1c C    19.8434  -14.8202
            22  C1b C    21.0317  -15.5193
            23  C1a C    19.8434  -13.4222
            24  C1b C    22.2900  -14.8202
            25  C1b C    23.4784  -15.5193
            26  C1c C    24.6668  -14.8202
            27  C1b C    25.8551  -15.5193
            28  C1a C    24.6668  -13.4222
            29  C1b C    27.1134  -14.8202
            30  C1b C    28.3018  -15.5193
            31  C1c C    29.4902  -14.8202
            32  C1b C    30.7485  -15.5193
            33  C1a C    29.4902  -13.4222
            34  O1a O    31.9265  -14.8131
BOND        35
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13   10  14 1
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   16  18 1
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   22  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   31  33 1
            33    7  10 2
            34    9  12 1
            35   32  34 1

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